| CAS Number | 926206-19-1 |
| Catalog Number | AG01A7M2 |
| Chemical Name | 2-[4-(3-Oxobutyl)phenoxy]acetic acid |
| IUPAC Name | 2-[4-(3-oxobutyl)phenoxy]acetic acid |
| InChI | InChI=1S/C12H14O4/c1-9(13)2-3-10-4-6-11(7-5-10)16-8-12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15) |
| InChI Key | BYUZYVCTSSHDHC-UHFFFAOYSA-N |
| MDL Number | MFCD09048028 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | CC(CCC1=CC=C(OCC(O)=O)C=C1)=O |
| Synonyms | 2-[4-(3-oxobutyl)phenoxy]acetic acid,
926206-19-1,
AC1Q1K5J,
SCHEMBL2559840,
CTK6A0184,
ZINC22142663,
AKOS000131858,
MCULE-7560330422,
NE24565,
EN300-59127,
Z228583442,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number